2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine

C12H17F2NO2 — CID 117364649

IUPAC2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
SMILESCNCCc1cc(OC)c(C(F)F)cc1OC
InChIInChI=1S/C12H17F2NO2/c1-15-5-4-8-6-11(17-3)9(12(13)14)7-10(8)16-2/h6-7,12,15H,4-5H2,1-3H3
InChIKeyWWZTVQXEOASSGY-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.40
Rot. Bonds6

About 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine (PubChem CID 117364649) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
PubChem CID117364649
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
SMILESCNCCc1cc(OC)c(C(F)F)cc1OC
InChIInChI=1S/C12H17F2NO2/c1-15-5-4-8-6-11(17-3)9(12(13)14)7-10(8)16-2/h6-7,12,15H,4-5H2,1-3H3
InChIKeyWWZTVQXEOASSGY-UHFFFAOYSA-N
XLogP2.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117335907
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
N-[[2-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337439
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
6-chloro-N-[2-[4-(difluoromethyl)-5-fluoro-2-methoxyphenyl]ethyl]pyrimidin-4-amine
CID 135381055
[2-(2,4,5-trimethoxyphenyl)ethylamino]methanethiol
CID 115228309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine (CID 117364649) is 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine is CNCCc1cc(OC)c(C(F)F)cc1OC.
What is the InChIKey of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine?
The InChIKey is WWZTVQXEOASSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-15-5-4-8-6-11(17-3)9(12(13)14)7-10(8)16-2/h6-7,12,15H,4-5H2,1-3H3.
What are the key properties of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine?
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine has a molecular weight of 245.27 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 117364649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).